2-(1H-benzimidazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C18H17N3O3S/c22-17(11-25-18-20-13-4-1-2-5-14(13)21-18)19-12-6-7-15-16(10-12)24-9-3-8-23-15/h1-2,4-7,10H,3,8-9,11H2,(H,19,22)(H,20,21)